methyl (2S)-2-amino-3-methylbutanoate hydrochloride

Basic Information

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CAS Number

6306-52-1

Molecular Formula

C6H14ClNO2

Molecular Weight

167.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

171-173 °C

Boiling Point

145.7 oC at 760 mmHg

Density

1.2740

Flash Point

20.7℃

Refractive Index

15.5 ° (C=2, H2O)

Specific Rotation

15.5 º (C=2,H2O 24 ºC)

SMILES

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Cl.COC(=O)[C@@H](N)C(C)C

InChI

InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1

InChIKey

KUGLDBMQKZTXPW-JEDNCBNOSA-N

LogP

0.5644999999999998

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

101

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

L-Valine methyl ester hydrochloride
L-VALINE METHYL ESTER HYDROCHLORIDE extrapure
(2S)-2-Amino-3-methylbutanoate hydrochloride
L-Val-OMe·Hydrochloride
Valine methyl·hydrochloride
L-Val-OMe.HCL
L-Valine methyl este
L-2-Aminoisovaleric Acid Methyl Ester Hydrochloride H-Val-OMe.HCl
H-Val-OMe HCl
H-Val-OMe.HCl
(S)-2-Amino-3-methyl-butyric acid methyl ester hydrochloride
H-L-VAL-OME HCL
H-L-Val-OMe·HCl
H-Val-OMe · HCl
L-Valine methyl ester, HCl
methyl (2S)-2-amino-3-methylbutanoate,hydrochloride
L-2-Aminoisovaleric Acid Methyl Ester Hydrochloride
H-Val-OMe·HCl
L-Valine Methyl Ester Hydrochloride

MDL Number

MFCD00012497

Customs Code

2922499990

FAQ

What is methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1)?

Methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1) is a chiral amino acid derivative with the chemical formula C6H13NO3·HCl. It features an amino group at the second carbon and a methyl group at the third carbon of a butanoate chain, forming a hydrochloride salt. This compound is commonly used in pharmaceutical research due to its structural versatility and role in synthesizing bioactive molecules.

What are the main uses of methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1)?

Methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1) is primarily utilized in pharmaceutical development as an intermediate for synthesizing chiral drugs and amino acid-based compounds. It also finds applications in medicinal chemistry research, organic synthesis, and as a building block for enantiomerically pure pharmaceuticals. Its utility stems from its ability to participate in various chemical reactions and structural modifications.

Is methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1) safe?

Methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1) is generally considered safe when handled according to standard chemical safety protocols. However, it may cause mild irritation to skin or eyes, so protective gloves, goggles, and proper ventilation are recommended. Always follow safety data sheet guidelines and avoid ingestion or contact with incompatible materials.

How should methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1) be stored?

Methyl (2S)-2-amino-3-methylbutanoate hydrochloride (CAS: 6306-52-1) should be stored in a cool, dry place (ideally 2-8°C), protected from light and moisture. Use airtight, sealed containers to maintain stability and prevent degradation. Avoid exposure to air and incompatible substances to ensure long-term preservation and safety compliance.